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CHEBI:156147 - 2-methyl-3-sulfanylbutan-1-ol

ChEBI IDCHEBI:156147
ChEBI Name2-methyl-3-sulfanylbutan-1-ol
Stars
DefinitionAn alkanethiol that is butan-1-ol substituted at positions 2 and 3 by methyl and sulfanyl groups respectively.
Last Modified6 August 2020
SubmitterAnne Morgat
DownloadsMolfile
FormulaC5H12OS
Net Charge0
Average Mass120.217
Monoisotopic Mass120.06089
SMILESCC(S)C(C)CO
InChIInChI=1S/C5H12OS/c1-4(3-6)5(2)7/h4-7H,3H2,1-2H3
InChIKeyRFMHFOPFUZZBAD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (17191898) Identified in human axilla secretions.
Vitis vinifera (ncbitaxon:29760) - PubMed (17249683)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-methyl-3-sulfanylbutan-1-ol (CHEBI:156147) has role human metabolite (CHEBI:77746)
2-methyl-3-sulfanylbutan-1-ol (CHEBI:156147) has role plant metabolite (CHEBI:76924)
2-methyl-3-sulfanylbutan-1-ol (CHEBI:156147) is a alkanethiol (CHEBI:47908)
2-methyl-3-sulfanylbutan-1-ol (CHEBI:156147) is a primary alcohol (CHEBI:15734)
2-methyl-3-sulfanylbutan-1-ol (CHEBI:156147) is a volatile organic compound (CHEBI:134179)
IUPAC Name 
2-methyl-3-sulfanylbutan-1-ol
Synonyms  Source
3-mercapto-2-methyl-1-butanolChemIDplus
2-methyl-3-mercapto-1-butanolChEBI
UniProt Name  Source
2-methyl-3-sulfanylbutan-1-olUniProt
Manual XrefsDatabases
CPD-21110MetaCyc
Registry NumbersSources
CAS:227456-33-9ChemIDplus
Citations